7-chloro-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

C7H3ClF3N3 — CID 21065750

IUPAC7-chloro-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1cc(Cl)n2nccc2n1
InChIInChI=1S/C7H3ClF3N3/c8-5-3-4(7(9,10)11)13-6-1-2-12-14(5)6/h1-3H
InChIKeyPUZNXENQTRYFRU-UHFFFAOYSA-N
MW221.57 g/mol
LogP2.40
Rot. Bonds

About 7-chloro-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

7-chloro-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 21065750) has the molecular formula C7H3ClF3N3 and a molecular weight of 221.57 g/mol. Its IUPAC name is 7-chloro-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-chloro-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID21065750
Molecular FormulaC7H3ClF3N3
Molecular Weight221.57 g/mol
Exact Mass221.00
IUPAC Name7-chloro-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1cc(Cl)n2nccc2n1
InChIInChI=1S/C7H3ClF3N3/c8-5-3-4(7(9,10)11)13-6-1-2-12-14(5)6/h1-3H
InChIKeyPUZNXENQTRYFRU-UHFFFAOYSA-N
XLogP2.40
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.57
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 12581392
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CID 11074154
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CID 12581393
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CID 1500131
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CID 13115788
CID 13115788
CID 10487287
CID 10487287
CID 10487659
CID 10487659
CID 12281649
CID 12281649
CID 12366071
CID 12366071
CID 16768300
CID 16768300
CID 18406987
CID 18406987
CID 84687193
CID 84687193

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-chloro-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CID 21065750) is 7-chloro-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-chloro-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-chloro-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is FC(F)(F)c1cc(Cl)n2nccc2n1.
What is the InChIKey of 7-chloro-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is PUZNXENQTRYFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClF3N3/c8-5-3-4(7(9,10)11)13-6-1-2-12-14(5)6/h1-3H.
What are the key properties of 7-chloro-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
7-chloro-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 221.57 g/mol, XLogP of 2.40, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 21065750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).